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- Publisher
- Royal Society of Chemistry
- Copyright
- This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique
- ISSN
- 1144-0546
- eISSN
- 1369-9261
- DOI
- 10.1039/c5nj00102a
- Publisher site
- See Article on Publisher Site
Abstract
Configurations and spectra of Ag 7 clusters have been investigated using DFT/B3LYP. First, four stable structures of Ag 7 clusters have been obtained, which are composed of pentagons and triangles. The most stable one is the Ag 7 -1 cluster that has one pentagon and ten triangles. The Wiberg bond index values of Natural Bond Orbital analysis and Raman spectra have verified the configurations of four clusters and the existence of pentagons and triangles. Second, Ag 7 nano-clusters have been synthesized in an experiment. From comparison of the absorbance spectra from the experiment and the data from calculations, we have confirmed that Ag 7 -2 and Ag 7 -4 molecules were the possible configurations of experimental products.
Journal
New Journal of Chemistry – Royal Society of Chemistry
Published: Feb 8, 2015